Methylboronic acid

• CAS: 13061-96-6
• Catalog Number: ACM13061966
• Category: Boronic Acids
• Molecular Weight: 59.86g/mol
• Molecular Formula: CH5BO2
• Synonyms: METHYLBORON DIHYDROXIDE;METHYLBORONIC ACID;METHANEBORONIC ACID;CH5BO2;dihydroxy-methyl-borane;METHYLBORONIC ACIDFOR GC;METHANDROSTENOLONE;Methylboron dihydroxide, GLC Grade
• IUPAC Name: methylboronic acid
• Canonical SMILES: B(C)(O)O
• InChI: InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3
• InChI Key: KTMKRRPZPWUYKK-UHFFFAOYSA-N
• Complexity: 13.5
• Covalently-Bonded Unit Count: 1
• Exact Mass: 60.03826g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 4
• Monoisotopic Mass: 60.03826g/mol
• Rotatable Bond Count: 0
• UNII: 8Z1ME41SCH

Synthetic Use

Downstream Synthesis Route 1

• 611-35-8
• 13061-96-6

• 4295-06-1

Reference: [1] Chemical Science, 2016, vol. 7, # 10, p. 6407 - 6412

Downstream Synthesis Route 2

• 6298-19-7
• 13061-96-6

• 3430-10-2

Reference: [1] Tetrahedron, 1998, vol. 54, # 23, p. 6311 - 6318

Downstream Synthesis Route 3

• 13061-96-6
• 149806-06-4

• 53014-84-9

Reference: [1] Patent: WO2008/16968, 2008, A2, . Location in patent: Page/Page column 70

Downstream Synthesis Route 4

• 22348-32-9
• 13061-96-6

• 112022-81-8

Reference: [1]Tetrahedron,1998,vol. 54,p. 6311 - 6318

Downstream Synthesis Route 5

• 13061-96-6
• 237435-16-4

• 179056-98-5

Reference: [1]Helvetica Chimica Acta,2001,vol. 84,p. 431 - 472

Downstream Synthesis Route 6

• 13061-96-6
• 77771-02-9

• 135427-08-6

Reference: [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 4288 - 4312

* For details of the synthesis route, please refer to the original source to ensure accuracy.